Structural Complex
Chemical ID: A1BHK
IUPAC Name: (2R)-2-phosphonopropanoic acid
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C3 H7 O5 P
Molecular weight: 154.058
Hydrogen Bond Acceptor: 5
Hydrogen Bond Donor: 3
Rotatable Bonds: 5
Heavy Atoms: 9
Systematic name
Program Version Descriptor
ACDLabs 14.52 (2R)-2-phosphonopropanoic acid
OpenEye OEToolkits 3.1.0.0 (2~{R})-2-phosphonopropanoic acid
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 O=C(O)C(C)P(=O)(O)O
InChI InChI 1.06 InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
InChIKey InChI 1.06 GUXRZQZCNOHHDO-UWTATZPHSA-N
SMILES_CANONICAL CACTVS 3.385 C[C@H](C(O)=O)[P](O)(O)=O
SMILES CACTVS 3.385 C[CH](C(O)=O)[P](O)(O)=O
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C[C@H](C(=O)O)P(=O)(O)O
SMILES OpenEye OEToolkits 3.1.0.0 CC(C(=O)O)P(=O)(O)O
Chemical Database Mapping
Database Reference ID
PubChem 6998983
ZINC ZINC000002008861
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